ethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate

C18H24FNO6 — CID 164671050

IUPACethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate
SMILESCCOC(=O)[C@H](Nc1ccc(F)cc1)[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C18H24FNO6/c1-5-23-16(21)12(20-11-8-6-10(19)7-9-11)13-14-15(17(22-4)24-13)26-18(2,3)25-14/h6-9,12-15,17,20H,5H2,1-4H3/t12-,13-,14-,15-,17-/m1/s1
InChIKeyWCGBMYKEZFZQOP-DRXUAVOGSA-N
MW369.39 g/mol
LogP2.06
Rot. Bonds6

About ethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate

ethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate (PubChem CID 164671050) has the molecular formula C18H24FNO6 and a molecular weight of 369.39 g/mol. Its IUPAC name is ethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate
PubChem CID164671050
Molecular FormulaC18H24FNO6
Molecular Weight369.39 g/mol
Exact Mass369.16
IUPAC Nameethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate
SMILESCCOC(=O)[C@H](Nc1ccc(F)cc1)[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C18H24FNO6/c1-5-23-16(21)12(20-11-8-6-10(19)7-9-11)13-14-15(17(22-4)24-13)26-18(2,3)25-14/h6-9,12-15,17,20H,5H2,1-4H3/t12-,13-,14-,15-,17-/m1/s1
InChIKeyWCGBMYKEZFZQOP-DRXUAVOGSA-N
XLogP2.06
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate with MolForge

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Launch Full Analysis

Related Compounds

C18H22Fno6
CID 3161585
ethyl (3S)-3-[(3aR,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[butyl-[(4-fluorophenyl)carbamoyl]amino]propanoate
CID 508344
N-(2-fluorophenyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide
CID 3161584
N-(4-fluorophenyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide
CID 3161586
ethyl 2-(4-fluoroanilino)-2-[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]acetate
CID 146162255
ethyl 2-(4-fluoroanilino)-2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]acetate
CID 146162264
ethyl (2R)-2-(4-fluoroanilino)-2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]acetate
CID 164671048
ethyl (2R)-2-(4-fluoroanilino)-2-[(1S,2R,6R,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate
CID 164671052
2,2,7,7-tetramethyl-N-(2-oxo-2-(phenylamino)ethyl)tetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide
CID 3148961
N~5~-(2-Fluorophenyl)-2,2,7,7-tetramethyltetrahydro-3AH-DI[1,3]dioxolo[4,5-B:4,5-D]pyran-5-carboxamide
CID 46262235
Rel-(3AR,5S,5AR,8AS,8BR)-N-(3-fluorophenyl)-2,2,7,7-tetramethyltetrahydro-3AH-bis[1,3]dioxolo[4,5-B:4',5'-D]pyran-5-carboxamide
CID 46262236
N~5~-(4-Fluorophenyl)-2,2,7,7-tetramethyltetrahydro-3AH-DI[1,3]dioxolo[4,5-B:4,5-D]pyran-5-carboxamide
CID 46262237

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate?
The IUPAC name of ethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate (CID 164671050) is ethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate.
What is the SMILES notation for ethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate?
The canonical SMILES for ethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate is CCOC(=O)[C@H](Nc1ccc(F)cc1)[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of ethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate?
The InChIKey is WCGBMYKEZFZQOP-DRXUAVOGSA-N. The full InChI is InChI=1S/C18H24FNO6/c1-5-23-16(21)12(20-11-8-6-10(19)7-9-11)13-14-15(17(22-4)24-13)26-18(2,3)25-14/h6-9,12-15,17,20H,5H2,1-4H3/t12-,13-,14-,15-,17-/m1/s1.
What are the key properties of ethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate?
ethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate has a molecular weight of 369.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(4-fluoroanilino)acetate is sourced from PubChem (CID 164671050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).